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26735-20-6 molecular structure
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N-(3-aminopropyl)-N-methylcyclohexanamine

ChemBase ID: 24381
Molecular Formular: C10H22N2
Molecular Mass: 170.29508
Monoisotopic Mass: 170.17829871
SMILES and InChIs

SMILES:
N(C1CCCCC1)(CCCN)C
Canonical SMILES:
NCCCN(C1CCCCC1)C
InChI:
InChI=1S/C10H22N2/c1-12(9-5-8-11)10-6-3-2-4-7-10/h10H,2-9,11H2,1H3
InChIKey:
GOODZUIQBJNDNO-UHFFFAOYSA-N

Cite this record

CBID:24381 http://www.chembase.cn/molecule-24381.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(3-aminopropyl)-N-methylcyclohexanamine
IUPAC Traditional name
N-(3-aminopropyl)-N-methylcyclohexanamine
Synonyms
N1-Cyclohexyl-N1-methyl-1,3-propanediamine
N-(3-aminopropyl)-N-cyclohexyl-N-methylamine
CAS Number
26735-20-6
MDL Number
MFCD06446874
PubChem SID
160987688
PubChem CID
7138385

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 7138385 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.6765647  LogD (pH = 7.4) -2.6878495 
Log P 1.2524159  Molar Refractivity 53.8175 cm3
Polarizability 21.50448 Å3 Polar Surface Area 29.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.002 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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